D0A0YX
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 18  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    2.2295    0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9626    2.9261   -1.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843    1.9137   -1.2599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160    1.9287    1.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    2.5042    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0692    2.4678   -0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784    1.8594    2.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1404    3.0162    1.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    2.3698    3.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    2.9442    2.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985    1.8206   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    1.4088    3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245    3.4681    1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743    2.3193    4.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7733    3.3418    3.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$